Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9869052 | 0.85 | BACE1 (0.43) | BACE1RAB9AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL7436519 | 0.83 | BACE1 (0.41) | BACE1RAB9AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL1012423 | 0.82 | BACE1 (0.46) | BACE1ALDH1A1NPSR1GLA | |
| Acetic Acid SCHEMBL2353509 | 0.70 | TDP1 (0.37) | ALDH1A1CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL28660694 | 0.69 | BACE1 (0.54) | BACE1RAB9AALDH1A1MEN1KMT2A | |
| Acetamide SCHEMBL27264146 | 0.68 | PARP1 (0.40) | ALDH1A1CYP3A4GLAMEN1BRCA1 | |
| SCHEMBL8323836 | 0.68 | BACE1 (0.65) | BACE1RAB9AALDH1A1CYP1A2NPSR1 | |
| SCHEMBL13516583 | 0.68 | BACE1 (0.56) | BACE1RAB9ACYP1A2MEN1KMT2A | |
| SCHEMBL10530016 | 0.67 | BACE1 (0.35) | BACE1MEN1KMT2A | |
| SCHEMBL4459751 | 0.67 | BACE1 (0.46) | BACE1ALDH1A1NPSR1GLAMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539372-A1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| WO-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |